REMARK  Name = BDB058466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.293   0.595  -0.812  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.047   0.362  -0.455  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.533  -0.927  -0.553  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.804  -1.444  -0.262  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.818  -2.825  -0.565  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.517  -3.142  -1.009  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.078  -4.434  -1.448  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.768  -3.585  -0.464  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.738  -1.979  -1.008  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.571  -1.786  -1.384  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.079  -0.484  -1.284  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.806   1.905  -0.736  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.123   2.596  -0.441  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        4.248   1.898   0.412  0.00  0.00    +0.253 A 
ATOM     15  N   LIG    1        3.006   1.454   0.110  0.00  0.00    -0.194 NA
ATOM     16  C   LIG    1        2.119   2.334  -0.410  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1        2.470   3.659  -0.651  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        1.375   4.822  -1.292  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        3.758   4.019  -0.337  0.00  0.00    +0.138 A 
ATOM     20  N   LIG    1        4.657   3.169   0.190  0.00  0.00    -0.217 NA
BRANCH  14  24
ATOM     21  C   LIG    1        8.485   0.423   2.276  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1        7.069   0.334   1.847  0.00  0.00    +0.061 A 
ATOM     23  N   LIG    1        6.467   1.393   1.306  0.00  0.00    -0.169 NA
ATOM     24  N   LIG    1        5.191   0.984   1.021  0.00  0.00    -0.202 N 
ATOM     25  C   LIG    1        5.002  -0.342   1.407  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        3.733  -1.095   1.262  0.00  0.00    +0.066 C 
ATOM     27  C   LIG    1        6.204  -0.770   1.932  0.00  0.00    +0.048 A 
ENDBRANCH  14  24
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -3.953  -0.686   0.166  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.672  -0.026  -1.012  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.972   0.717  -0.652  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -7.068  -0.239  -0.174  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -5.742   1.828   0.375  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -6.428   1.339  -1.861  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -7.289   1.755  -1.685  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7